(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene

C74H136 — CID 160741124

IUPAC(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene
SMILESCC1=CC[C@@H](C(C)C)CC1.CC1=CC[C@@H](C(C)C)[C@@H](C)C1.CC1=CC[C@@H](C(C)C)[C@H](C)C1.CC1=CC[C@H](C(C)C)CC1.CC1=CC[C@H](C(C)C)[C@@H](C)C1.CC1=CC[C@H](C(C)C)[C@H](C)C1.CC1CCC(C(C)C)CC1
InChIInChI=1S/4C11H20.C10H20.2C10H18/c4*1-8(2)11-6-5-9(3)7-10(11)4;3*1-8(2)10-6-4-9(3)5-7-10/h4*5,8,10-11H,6-7H2,1-4H3;8-10H,4-7H2,1-3H3;2*4,8,10H,5-7H2,1-3H3/t2*10-,11+;2*10-,11-;;2*10-/m1010.10/s1
InChIKeyRVPDEJCHPMUWPK-NRCYECRXSA-N
MW1025.90 g/mol
LogP24.79
Rot. Bonds7

About (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene

(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene (PubChem CID 160741124) has the molecular formula C74H136 and a molecular weight of 1025.90 g/mol. Its IUPAC name is (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene.

Molecular Properties

Compound Name(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene
PubChem CID160741124
Molecular FormulaC74H136
Molecular Weight1025.90 g/mol
Exact Mass1025.06
IUPAC Name(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene
SMILESCC1=CC[C@@H](C(C)C)CC1.CC1=CC[C@@H](C(C)C)[C@@H](C)C1.CC1=CC[C@@H](C(C)C)[C@H](C)C1.CC1=CC[C@H](C(C)C)CC1.CC1=CC[C@H](C(C)C)[C@@H](C)C1.CC1=CC[C@H](C(C)C)[C@H](C)C1.CC1CCC(C(C)C)CC1
InChIInChI=1S/4C11H20.C10H20.2C10H18/c4*1-8(2)11-6-5-9(3)7-10(11)4;3*1-8(2)10-6-4-9(3)5-7-10/h4*5,8,10-11H,6-7H2,1-4H3;8-10H,4-7H2,1-3H3;2*4,8,10H,5-7H2,1-3H3/t2*10-,11+;2*10-,11-;;2*10-/m1010.10/s1
InChIKeyRVPDEJCHPMUWPK-NRCYECRXSA-N
XLogP24.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.90
LogP ≤ 524.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene with MolForge

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Related Compounds

(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane
CID 159750866
(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 171904454
1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 75094485
1,4-dimethyl(113C)cyclohexene
CID 11018826
2-(4-methylcyclohex-3-en-1-yl)propane-1-thiol
CID 59610016
(2S)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanal
CID 76958477
CID 10458509
CID 10458509
5-butylbenzene-1,3-diol;ethane;1-methyl-4-propan-2-ylcyclohexene
CID 156810055
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde
CID 101489357
(1R,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene
CID 163030211
1,4-dimethylcyclohexane;ethane;2-(4-methylcyclohex-3-en-1-yl)propan-1-ol;2-methylheptan-1-ol
CID 145154726

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene?
The IUPAC name of (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene (CID 160741124) is (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene.
What is the SMILES notation for (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene?
The canonical SMILES for (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene is CC1=CC[C@@H](C(C)C)CC1.CC1=CC[C@@H](C(C)C)[C@@H](C)C1.CC1=CC[C@@H](C(C)C)[C@H](C)C1.CC1=CC[C@H](C(C)C)CC1.CC1=CC[C@H](C(C)C)[C@@H](C)C1.CC1=CC[C@H](C(C)C)[C@H](C)C1.CC1CCC(C(C)C)CC1.
What is the InChIKey of (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene?
The InChIKey is RVPDEJCHPMUWPK-NRCYECRXSA-N. The full InChI is InChI=1S/4C11H20.C10H20.2C10H18/c4*1-8(2)11-6-5-9(3)7-10(11)4;3*1-8(2)10-6-4-9(3)5-7-10/h4*5,8,10-11H,6-7H2,1-4H3;8-10H,4-7H2,1-3H3;2*4,8,10H,5-7H2,1-3H3/t2*10-,11+;2*10-,11-;;2*10-/m1010.10/s1.
What are the key properties of (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene?
(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene has a molecular weight of 1025.90 g/mol, XLogP of 24.79, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;1-methyl-4-propan-2-ylcyclohexane;(4R)-1-methyl-4-propan-2-ylcyclohexene;(4S)-1-methyl-4-propan-2-ylcyclohexene is sourced from PubChem (CID 160741124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).